SCHEMBL3777968

SCHEMBL3777968

CC(C)CC(NC(=O)C(N)CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
MME P08473 6/20 0.53
LAP3 P28838 3/20 0.53
MAPT P10636 1/20 0.50
SLC7A5 Q01650 1/20 0.48
LTA4H P09960 1/20 0.48
FOLH1 Q04609 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3777970 1.00 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL30676222 1.00 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL30453786 0.97 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL29449455 0.92 MME (0.56) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL31031454 0.91 MME (0.56) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL30454933 0.91 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL29531317 0.91 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL8945568 0.89 PDCD1LG2 (0.53) ALDH1A1MEN1LMNAKMT2AMME
SCHEMBL30381706 0.89 PDCD1LG2 (0.47) ALDH1A1MEN1LMNAKMT2AMME
Leu-Leu SCHEMBL6044006 0.89 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846902-B2 Dipeptide-comprising composition for oral administration KYOWA HAKKO BIO CO., LTD. (JP) 2010-12-07 US disclosed
US-20080305151-A1 Dipeptide-Comprising Composition for Oral Administration KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-11 US disclosed
EP-1941896-A1 DIPEPTIDE-CONTAINING COMPOSITION FOR ORAL ADMINISTRATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-07-09 EP disclosed
WO-1992010562-A1 GANODERMA LUCIDIUM IY009 WHICH PRODUCES PROTEOGLYCAN (G009) HAVING EFFECT OF ENHANCING ANTITUMOR IMMUNITY IL-YANG PHARMACEUTICAL CO., LTD. (KR) 1992-06-25 WO disclosed